SCHEMBL5350625

SCHEMBL5350625

CC(C)Oc1ccc(-c2c(-c3ccc(C(F)(F)F)cn3)ccc3[nH]c([C]=O)c(Cl)c23)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
PTGES O14684 2/20 0.33
PTPN5 P54829 1/20 0.33
MCHR1 Q99705 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SYK P43405 1/20 0.31
MAP4K4 O95819 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SCN9A Q15858 1/20 0.30
BTK Q06187 1/20 0.30
ACACB O00763 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5573963 0.86 CYP1A2 (0.34) CYP1A2PTGESPTPN5MCHR1CYP3A4
SCHEMBL5267329 0.85 MCHR1 (0.35) CYP1A2PTGESPTPN5MCHR1CYP3A4
SCHEMBL5272120 0.84 MCHR1 (0.34) CYP1A2PTGESPTPN5MCHR1CYP3A4
SCHEMBL5574807 0.84 CYP1A2 (0.34) CYP1A2PTGESPTPN5MCHR1CYP3A4
SCHEMBL5571402 0.82 KDM4E (0.43) CYP1A2PTGESMCHR1MEN1KMT2A
SCHEMBL5570207 0.79 GPR35 (0.36) CYP1A2PTPN5MCHR1CYP3A4CYP3A5
SCHEMBL5573431 0.79 MCHR1 (0.37) CYP1A2PTPN5MCHR1CYP3A4CYP3A5
SCHEMBL5571416 0.79 MLYCD (0.38) PTGESMCHR1MEN1KMT2A
SCHEMBL5338178 0.79 PTGES (0.33) PTGESPTPN5MCHR1MEN1KMT2A
SCHEMBL5506955 0.78 KMT2A (0.39) PTPN5MCHR1ALOX5APFEN1MAP4K4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838669-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-03 EP disclosed
WO-2006077365-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed